methyl 5-tert-butyl-3-[(1-phenylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-tert-butyl-3-[(1-phenylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate Openeye Name: methyl 5-tert-butyl-3-[(1-phenylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate CAS Name: 5-tert-butyl-3-[[oxo-[(1-phenyl-3-pyrazolyl)amino]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-tert-butyl-3-[(1-phenylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate Traditional Name: 5-tert-butyl-3-[(1-phenylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S1)C(=O)OC)NC(=O)NC2=NN(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)C(=O)OC)NC(=O)NC2=NN(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3S/c1-20(2,3)15-12-14(17(28-15)18(25)27-4)21-19(26)22-16-10-11-24(23-16)13-8-6-5-7-9-13/h5-12H,1-4H3,(H2,21,22,23,26)